SCHEMBL7931077

SCHEMBL7931077

CC(=O)NCC(=O)C(C)(C)C[C@@](CC(C)C)(C(=O)NN)[C@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.34
MASP2 O00187 1/20 0.33
HTR2A P28223 3/20 0.33
CTSC P53634 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
GAA P10253 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7931109 0.81 ADAM17 (0.31) ADAM17MASP2
SCHEMBL6942735 0.73 ADAM17 (0.42) ADAM17HTR2ACTSCGAASMN1; SMN2
SCHEMBL6942733 0.69 ADAM17 (0.36) ADAM17GAA
SCHEMBL7930092 0.69 CTSC (0.37) MASP2HTR2ACTSC
SCHEMBL7930095 0.69 CTSC (0.37) MASP2HTR2ACTSC
SCHEMBL7930087 0.69 CTSC (0.37) MASP2HTR2ACTSC
SCHEMBL7930090 0.69 CTSC (0.37) MASP2HTR2ACTSC
Hydrochloric Acid SCHEMBL6982151 0.68 CTSC (0.35) ADAM17MASP2HTR2ACTSCGRIK1
SCHEMBL7957560 0.67 GHSR (0.37) ADAM17MASP2HTR2ACTSCGRIK1
SCHEMBL6983320 0.67 ADAM17 (0.37) ADAM17MTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed